2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide

C18H19Cl2FN4O2 — CID 159916760

IUPAC2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
SMILESCCCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C18H19Cl2FN4O2/c1-4-5-10-6-7-22-13(9(2)3)14(10)23-18(27)25-17(26)11-8-12(21)16(20)24-15(11)19/h6-9H,4-5H2,1-3H3,(H2,23,25,26,27)
InChIKeyFIBSSWHZOADREK-UHFFFAOYSA-N
MW413.28 g/mol
LogP4.96
Rot. Bonds5

About 2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide

2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide (PubChem CID 159916760) has the molecular formula C18H19Cl2FN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
PubChem CID159916760
Molecular FormulaC18H19Cl2FN4O2
Molecular Weight413.28 g/mol
Exact Mass412.09
IUPAC Name2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
SMILESCCCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C18H19Cl2FN4O2/c1-4-5-10-6-7-22-13(9(2)3)14(10)23-18(27)25-17(26)11-8-12(21)16(20)24-15(11)19/h6-9H,4-5H2,1-3H3,(H2,23,25,26,27)
InChIKeyFIBSSWHZOADREK-UHFFFAOYSA-N
XLogP4.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide (CID 159916760) is 2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide is CCCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The InChIKey is FIBSSWHZOADREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN4O2/c1-4-5-10-6-7-22-13(9(2)3)14(10)23-18(27)25-17(26)11-8-12(21)16(20)24-15(11)19/h6-9H,4-5H2,1-3H3,(H2,23,25,26,27).
What are the key properties of 2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide has a molecular weight of 413.28 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide is sourced from PubChem (CID 159916760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).